SCHEMBL6981888

SCHEMBL6981888

COc1ccc(-c2ccnn2-c2ccccc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.46
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.41
MDM2 Q00987 1/20 0.41
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
MPO P05164 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
NR3C2 P08235 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27323821 0.78 POLB (0.43) PDE10AALDH1A1POLBMDM2GAA
SCHEMBL7067937 0.77 KDR (0.48) PDE10AALDH1A1POLBMDM2GAA
SCHEMBL27322492 0.74 PDE10A (0.37) PDE10AALDH1A1POLBMAPTNPSR1
SCHEMBL19924519 0.74 PDE10A (0.44) PDE10AALDH1A1POLBMDM2GAA
SCHEMBL27310716 0.74 NR3C2 (0.53) PDE10AALDH1A1MDM2MAPK8MAPK9
SCHEMBL7369553 0.73 HTT (0.47) PDE10AALDH1A1POLBGAALMNA
SCHEMBL28300954 0.72 SMN1; SMN2 (0.50) PDE10AALDH1A1POLBGAALMNA
SCHEMBL27343295 0.71 CYP2C9 (0.45) PDE10APOLBMDM2LMNANPSR1
SCHEMBL6057416 0.71 POLB (0.53) PDE10AALDH1A1POLBMDM2GAA
SCHEMBL17111160 0.71 RAB9A (0.54) ALDH1A1POLBLMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed